Disulfide tethering reveals cryptic pockets in oncogenic KRAS
Trent E. Balius·David M. Turner·Vandana Kumari·J. L. Denson·Ming Yi·Abhisheak Sharma·Priyanka Prakash·Emily Alberico·Simon Messing·Vanessa Wall·Andrew M. Chan·Dhirendra K. Simanshu·Dwight V. Nissley·Frank McCormick·Dominic Esposito·Anna E. Maciag·Marcin Dyba
Disulfide tethering is a site-directed method of drug discovery used to identify hits for challenging targets. We applied tethering to target oncogenic KRAS, a small GTPase once considered undruggable due to its high nucleotide affinity and a perceived absence of binding sites. We prepared a library of 2160 disulfide-containing fragments. We screened over 1000 compounds against a panel of 83 engineered cysteine mutants of KRAS G12D in the active conformation and screened the full library for a s
